Dataset

Metolachlor ESA

This MassBank record with Accession MSBNK-BAFG-CSL2311107577 contains the MS2 mass spectrum of Metolachlor ESA with the InChIkey CIGKZVUEZXGYSV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20)
SMILES CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C
InChI Key CIGKZVUEZXGYSV-UHFFFAOYSA-N
Molecular Formula C15H23NO5S
Exact Mass 329.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107577
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:31:08.675315
MetadataModified 2024-01-11T11:31:08.841218
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables